3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6,7-dimethoxy-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C23H33N4O5+ MolecularWeight: 445.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H32N4O5/c1-30-19-13-17-18(14-20(19)31-2)24-21(15-25-9-11-32-12-10-25)27(23(17)29)16-22(28)26-7-5-3-4-6-8-26/h13-14H,3-12,15-16H2,1-2H3/p+1